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SMILES: ONC(=O)[C@@H]1CN(C(=O)O1)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1

InChI Key: InChIKey=QVUIOMYYJBWMPV-NRFANRHFSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50501145   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)		BDBM50501145
PNG
(CHEMBL3828313)
Show SMILES ONC(=O)[C@@H]1CN(C(=O)O1)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 |r|
Show InChI InChI=1S/C23H23N3O5/c27-22(24-29)21-16-26(23(28)31-21)20-9-7-18(8-10-20)2-1-17-3-5-19(6-4-17)15-25-11-13-30-14-12-25/h3-10,21,29H,11-16H2,(H,24,27)/t21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-(R-3-hydroxymyristoyl)GlcNAc as substrate measured after 60 mins by fluorescence analysis

ACS Med Chem Lett 7: 623-8 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00057
BindingDB Entry DOI: 10.7270/Q2DV1NWV
More data for this
Ligand-Target Pair